methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate

C27H29N5O6 — CID 67765319

About methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate

methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate (PubChem CID 67765319) has the molecular formula C27H29N5O6 and a molecular weight of 519.56 g/mol. Its IUPAC name is methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate.

Molecular Properties

• Compound Name: methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate
• PubChem CID: 67765319
• Molecular Formula: C27H29N5O6
• Molecular Weight: 519.56 g/mol
• Exact Mass: 519.21
• IUPAC Name: methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate
• SMILES: COC(=O)Cc1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCCC4)cn3)nc(OC(C)C)c2)nc1
• InChI: InChI=1S/C27H29N5O6/c1-17(2)37-23-13-20(26(34)30-21-8-6-18(15-28-21)12-25(33)36-3)14-24(31-23)38-22-9-7-19(16-29-22)27(35)32-10-4-5-11-32/h6-9,13-17H,4-5,10-12H2,1-3H3,(H,28,30,34)
• InChIKey: SKFZZTOVENDHTQ-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 132.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.56
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate?

The IUPAC name of methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate (CID 67765319) is methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate.

What is the SMILES notation for methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate?

The canonical SMILES for methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate is COC(=O)Cc1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCCC4)cn3)nc(OC(C)C)c2)nc1.

What is the InChIKey of methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate?

The InChIKey is SKFZZTOVENDHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O6/c1-17(2)37-23-13-20(26(34)30-21-8-6-18(15-28-21)12-25(33)36-3)14-24(31-23)38-22-9-7-19(16-29-22)27(35)32-10-4-5-11-32/h6-9,13-17H,4-5,10-12H2,1-3H3,(H,28,30,34).

What are the key properties of methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate?

methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate has a molecular weight of 519.56 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[6-[[2-propan-2-yloxy-6-[[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]oxy]pyridine-4-carbonyl]amino]-3-pyridinyl]acetate is sourced from PubChem (CID 67765319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).